D109-0333 Screening compound: N-[4-(3,4-diethoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide

D109-0333 Screening compound: N-[4-(3,4-diethoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide
D109-0333 Screening compound: N-[4-(3,4-diethoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D109-0333
N-[4-(3,4-diethoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D109-0333

Molecular Formula

C22H21N3O5 (C22 H21 N3 O5)

Compound Name

N-[4-(3,4-diethoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide

IUPAC name

N-[4-(34-diethoxyphenyl)-125-oxadiazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide

SMILES

CCOc(ccc(-c1nonc1NC(c1c(C)c(cccc2)c2o1)=O)c1)c1OCC

InChI

InChI=1S/C22H21N3O5/c1-4-27-17-11-10-14(12-18(17)28-5-2)19-21(25-30-24-19)23-22(26)20-13(3)15-8-6-7-9-16(15)29-20/h6-12H,4-5H2,1-3H3,(H,23,25,26)

InChI Key

OUTQZCXBTQIQCF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06648271

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.990

Distribution Coefficient, logD

4.899

Water Solubility, LogSw

-4.79

Polar Surface Area

83.032

Acid Dissociation Constant (pKa)

8.03

Base Dissociation Constant (pKb)

-3.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

D109-0333 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

KRAS-Targeted Library (16000 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with D109-0333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D109-0333?
Check Price and Availability of D109-0333, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D109-0333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D109-0333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D109-0333
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D109-0333 available by request